4-[4-(oxolan-2-ylmethyl)-5-[(3-pyrrol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline

Systemtic Name: 4-[4-(oxolan-2-ylmethyl)-5-[(3-pyrrol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 2-phenyl-4-[5-[(3-pyrrol-1-ylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]quinoline CAS Name: 4-[4-(2-oxolanylmethyl)-5-[[3-(1-pyrrolyl)phenyl]methylthio]-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[4-(oxolan-2-ylmethyl)-5-[(3-pyrrol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 2-phenyl-4-[5-[(3-pyrrol-1-ylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]quinoline Formula: C33H29N5OS MolecularWeight: 543.68126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC(=CC=C3)N4C=CC=C4)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC(=CC=C3)N4C=CC=C4)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7

InChI

InChI=1S/C33H29N5OS/c1-2-11-25(12-3-1)31-21-29(28-15-4-5-16-30(28)34-31)32-35-36-33(38(32)22-27-14-9-19-39-27)40-23-24-10-8-13-26(20-24)37-17-6-7-18-37/h1-8,10-13,15-18,20-21,27H,9,14,19,22-23H2